SCHEMBL2120937

SCHEMBL2120937

CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.44
PDE8B O95263 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
CHEK2 O96017 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KDM1A O60341 1/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
OPRD1 P41143 1/20 0.36
PRMT5 O14744 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2120840 0.87 METTL3 (0.47) METTL3PDE8BTRPV1CHEK2KDM4E
SCHEMBL2120295 0.86 TLR9 (0.45) METTL3PDE8BCHEK2KDM4ESUV39H2
SCHEMBL2123364 0.85 METTL3 (0.35) METTL3KDM4EALDH1A1SUV39H2POLB
SCHEMBL2121708 0.84 METTL3 (0.54) METTL3PDE8BKDM4EALDH1A1HPGD
SCHEMBL2512853 0.82 METTL3 (0.45) METTL3PDE8BCHEK2KDM4EALDH1A1
SCHEMBL2122869 0.81 METTL3 (0.38) METTL3PDE8BTRPV1CHEK2ALDH1A1
SCHEMBL2122898 0.81 METTL3 (0.43) METTL3PDE8BTRPV1CHEK2KDM4E
SCHEMBL311400 0.80 METTL3 (0.42) METTL3PDE8BCHEK2SUV39H2KDM1A
SCHEMBL2538398 0.79 PDE8B (0.42) METTL3PDE8BCHEK2KDM4EALDH1A1
SCHEMBL2533053 0.79 METTL3 (0.43) METTL3PDE8BTRPV1CHEK2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
WO-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 METTL3 4309/4885PDE8B 3453/4885TRPV1 105/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 METTL3 4607/4885PDE8B 563/4885TRPV1 172/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.